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CAS 890094-38-9 (2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amine molecular structure lightbox
CAS RN: 890094-38-9

(2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amine

  • Product code: SSC-200853
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 890094-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

890094-38-9 / 2-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine

Standard CAS: 890094-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
890094-38-9
Multi CAS
No
Molecular Formula
C7H9CLN4O2
Molecular Weight
216.620000
Exact Mass
216.041403
InChI
InChI=1S/C7H9ClN4O2/c1-4(2)10-6-5(12(13)14)3-9-7(8)11-6/h3-4H,1-2H3,(H,9,10,11)
InChIKey
XGDPRAOPHIPUTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.46
TPSA
80.95

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
2.7
Consensus LogP
2.07
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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